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CNDE

General

Type : Cyanide

Chemical_Nomenclature : 5-cyano-4-ethoxycarbonyl-7-methyloctanoic acid

Canonical SMILES : CCOC(=O)C(CCC(=O)O)C(CC(C)C)C#N

InChI : InChI=1S\/C13H21NO4\/c1-4-18-13(17)11(5-6-12(15)16)10(8-14)7-9(2)3\/h9-11H,4-7H2,1-3H3,(H,15,16)

InChIKey : MBZSCAJFNRHIKS-UHFFFAOYSA-N || MBZSCAJFNRHIKS-DTIOYNMSSA-N || MBZSCAJFNRHIKS-VUWPPUDQSA-N

Other name(s) : SCHEMBL2223205  ||  2-carboxyethyl-3-cyano-5-methylhexanoic acid, ethyl ester  ||  Rac-2-carboxyethyl-3-cyano-5-methylhexanoic acid ethyl ester  ||  (+\/-)-2-carboxyethyl-3-cyano-5-methyl hexanoic acid ethyl ester  ||  2-(2-Carboxyethyl)-3-cyano-5-methylhexanoic acid 1-ethyl ester

MW : 255.31

Formula : C13H21NO4

CAS_number :

PubChem : 129826807,    129826810,    86583641

UniChem : MBZSCAJFNRHIKS-UHFFFAOYSA-N,    MBZSCAJFNRHIKS-DTIOYNMSSA-N,    MBZSCAJFNRHIKS-VUWPPUDQSA-N

Target

Structures : No structure

Families : Lipase_3

References (4)

Title : Engineering of Talaromyces thermophilus lipase by altering its crevice-like binding site for highly efficient biocatalytic synthesis of chiral intermediate of Pregablin - Ding_2018_Bioorg.Chem_77_330
Author(s) : Ding X , Zheng RC , Tang XL , Zheng YG
Ref : Bioorg Chem , 77 :330 , 2018
Abstract :
PubMedSearch : Ding_2018_Bioorg.Chem_77_330
PubMedID: 29421709
Gene_locus related to this paper: talth-f6lqk7

Title : Discovery and expression of a Pseudomonas sp. esterase as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin -
Author(s) : Xu F , Chen S , Xu G , Wu J , Yang L
Ref : Biotechnol Bioprocess Eng , 20 :473 , 2015
PubMedID:

Title : Engineering of Thermomyces lanuginosus lipase Lip: creation of novel biocatalyst for efficient biosynthesis of chiral intermediate of Pregabalin - Li_2014_Appl.Microbiol.Biotechnol_98_2473
Author(s) : Li XJ , Zheng RC , Ma HY , Zheng YG
Ref : Applied Microbiology & Biotechnology , 98 :2473 , 2014
Abstract :
PubMedSearch : Li_2014_Appl.Microbiol.Biotechnol_98_2473
PubMedID: 23917635
Gene_locus related to this paper: thela-m4tp71

Title : Biocatalytic synthesis of chiral intermediate of pregabalin with high substrate loading by a newly isolated Morgarella morganii ZJB-09203 - Zheng_2013_Appl.Microbiol.Biotechnol_97_4839
Author(s) : Zheng RC , Wang TZ , Fu DJ , Li AP , Li XJ , Zheng YG
Ref : Applied Microbiology & Biotechnology , 97 :4839 , 2013
Abstract :
PubMedSearch : Zheng_2013_Appl.Microbiol.Biotechnol_97_4839
PubMedID: 23504060